Bücher von Boutaleb Miloud

The push-plull organic materials are attracting a growing interest for their flexibility in synthesis and their technological implementation. The excitement of these materials under the effect of an electric field us allows to easily track the intramolecular charge transfer and distribution of electron cloud in the molecular unit. Different theoretical calculations are exploited to determine the coefficient of first order hyperpolarizabilities ¿. Looking at the parameters which will influence this phenomenon and increasing the values of ¿ in the model of push-pull the organic compounds.

Using the full potential linearized augmented plane-wave (FP-LAPW) calculations with generalized gradient approximation functional (GGA), we investigated the structural, electronic and magnetic properties of the family compounds AlP as ternary diluted semiconductors (DMS)s Al1_x(Cr,V)xP with concentration of 0.25, 0.125 and 0.0625 in zinc blende phase (B3). The interaction of 3d orbital of transition metal with the 3p states of the four phosphorus atoms who occupy the summits of the tetrahedron resulting from SP3 hybridization, stabilize more the phenomena of magnetization by the effect of Zener's p¿d exchange. The analyses of electronic and magnetic properties using the total and partial density of state and bands structure show that Al1_xCrxP and Al1_xVxP are spin-polarized with a half-metallic band gap. We seem that these materials will be among the good candidates for spintronic applications.